BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Thymidine

Graphical representations:

Thymidine image

Molecular Formula: C10 H14 N2 O5

Natural Isotopic Abundance Mass: 242.2285600000

Mono-Isotopic Molecular Masses:

  • C12N14: 242.09027157
  • C13N14: 252.123819948
  • C12N15: 244.084341357
  • C13N15: 254.1178897347

InCHi String: InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1

isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O

canonical SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O

IUPAC: IUPAC systematic
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

IUPAC traditional
1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone

IUPAC cas: IUPAC openeye
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

PubChem Substance (SID):   85165052   148579   3514
PubChem Compound (CID):   5789
KEGG: Compound ID   C00214
CAS Registry IDs:   35902-13-7   50-89-5
PDB Chemical Component   THM
Miscellaneous Databases and IDs:   CHEBI 17748   CCRIS 1283   EINECS 200-070-4   NSC 21548

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.